# CIF generated by HEAS from Alexandria entry agm005103569 data_agm005103569 _cell_length_a 3.15885 _cell_length_b 3.15885 _cell_length_c 8.01553 _cell_angle_alpha 78.63576 _cell_angle_beta 78.63576 _cell_angle_gamma 60.00000 _cell_volume 67.44919 _symmetry_space_group_name_H-M 'P 1' _symmetry_Int_Tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ti1 Ti 0.07092 0.07092 0.78724 1.00000 Ti2 Ti 0.26196 0.26196 0.21413 1.00000 Nb1 Nb 0.49936 0.49936 0.50192 1.00000 S1 S 0.66776 0.66776 0.99671 1.00000